N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C26H31FN4O5 — CID 55764914

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C26H31FN4O5/c1-3-35-23-16-22(30-11-13-34-14-12-30)24(36-4-2)15-21(23)28-26(33)20-9-10-25(32)31(29-20)17-18-5-7-19(27)8-6-18/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,28,33)
InChIKeyRHTYKGDCLSDBBG-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.58
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55764914) has the molecular formula C26H31FN4O5 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55764914
Molecular FormulaC26H31FN4O5
Molecular Weight498.56 g/mol
Exact Mass498.23
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C26H31FN4O5/c1-3-35-23-16-22(30-11-13-34-14-12-30)24(36-4-2)15-21(23)28-26(33)20-9-10-25(32)31(29-20)17-18-5-7-19(27)8-6-18/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,28,33)
InChIKeyRHTYKGDCLSDBBG-UHFFFAOYSA-N
XLogP3.58
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 39984626
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 26701955
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55645598
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55764914) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RHTYKGDCLSDBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O5/c1-3-35-23-16-22(30-11-13-34-14-12-30)24(36-4-2)15-21(23)28-26(33)20-9-10-25(32)31(29-20)17-18-5-7-19(27)8-6-18/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,28,33).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55764914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).